⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1423105 | 0.86 | SIGMAR1 (0.32) | — | |
| SCHEMBL3006036 | 0.86 | CYP1A2 (0.34) | — | |
| SCHEMBL17060915 | 0.83 | CNR1 (0.31) | — | |
| SCHEMBL1423780 | 0.83 | — | — | |
| SCHEMBL1423184 | 0.82 | — | — | |
| SCHEMBL1423505 | 0.81 | — | — | |
| SCHEMBL14323613 | 0.81 | — | — | |
| SCHEMBL1423449 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL2011838 | 0.80 | CYP1A2 (0.31) | — | |
| SCHEMBL1423241 | 0.78 | CYP2D6 (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2297170-B1 | PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS | LUCITE INT UK LTD (GB) | 2015-09-09 | — | — | EP | claimed |
| US-8816113-B2 | Process for the carbonylation of ethylenically unsaturated compounds, novel carbonylation ligands and catalyst systems incorporating such ligands | LUCITE INTERNATIONAL UK LIMITED (GB) | 2014-08-26 | — | — | US | claimed |
| JP-2011526617-A | — | — | 2011-10-13 | — | — | JP | claimed |
| US-20110137059-A1 | PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS | LUCITE INTERNATIONAL UK LIMITED (GB) | 2011-06-09 | — | — | US | claimed |
| EP-2297170-A1 | PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS | Lucite International UK Limited (GB) | 2011-03-23 | — | — | EP | claimed |
| WO-2010001174-A1 | PROCESS FOR THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS, NOVEL CARBONYLATION LIGANDS AND CATALYST SYSTEMS INCORPORATING SUCH LIGANDS | LUCITE INTERNATIONAL UK LIMITED (GB) | 2010-01-07 | — | — | WO | claimed |